Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4438041

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc2cc(CN3CCCCC3C(=O)[O-])c3cc(OC)c(OC)cc3c2c1.[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438041
Phase Preclinical
Structure Type MOL
InChI Key GTQQFNQICJVSLV-UHFFFAOYSA-M
Parent Compound CHEMBL4595090
Active Moiety CHEMBL4595090
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.46
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26KNO5
MW 447.57
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
30716712 10.1016/j.ejmech.2019.01.056 Huh-7 1
30716712 10.1016/j.ejmech.2019.01.056 Mahlavu 1
30716712 10.1016/j.ejmech.2019.01.056 MCF7 1
30716712 10.1016/j.ejmech.2019.01.056 HCT-116 1
30716712 10.1016/j.ejmech.2019.01.056 Hep 3B2 1
30716712 10.1016/j.ejmech.2019.01.056 HepG2 1
30716712 10.1016/j.ejmech.2019.01.056 SNU-475 1
30716712 10.1016/j.ejmech.2019.01.056 Unchecked 1
30716712 10.1016/j.ejmech.2019.01.056 MCF-12A 1
30716712 10.1016/j.ejmech.2019.01.056 MCF-10A 1

Data from ChEMBL 36 via Core Engine